Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

lignin_cw_compound_213 image

Molecular Formula: C27 H32 O12

Natural Isotopic Abundance Mass: 548.53578

Mono-Isotopic Molecular Masses:

  • C12N14: 548.1893764924
  • C13N14: 575.279957113
  • C12N15: 548.1893764924
  • C13N15: 575.279957113

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC1=CC(=C(C=C1)OC(COC(C)=O)C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)OC(C)=O)OC

Syringylgycerol-B-vanillyl alcohol ether tetra-acetate

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 213
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.